CID 131765721
1-a-linolenoyl-2-behenoyl-3-a-linolenoyl-glycerol
Structural Information
- Molecular Formula
- C61H106O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,58H,4-7,10,13-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-
- InChIKey
- UMGAIZYSBHCWQK-HMUFUGGHSA-N
- Compound name
- 1,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propan-2-yl docosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 935.80623 | 324.5 |
[M+Na]+ | 957.78817 | 330.2 |
[M-H]- | 933.79167 | 309.4 |
[M+NH4]+ | 952.83277 | 333.1 |
[M+K]+ | 973.76211 | 339.0 |
[M+H-H2O]+ | 917.79621 | 324.6 |
[M+HCOO]- | 979.79715 | 322.4 |
[M+CH3COO]- | 993.81280 | 322.8 |
[M+Na-2H]- | 955.77362 | 303.0 |
[M]+ | 934.79840 | 325.9 |
[M]- | 934.79950 | 325.9 |
Literature stripe
Patent stripe
No patent data available for this compound.